| CAS Number | 1713160-63-4 |
| Catalog Number | AG018RXA(AGN-PC-0WBPYN) |
| Chemical Name | 1-[(piperidin-3-yl)methyl]-1H-1,2,3-triazole-4-carboxamide hydrochloride |
| IUPAC Name | 1-(piperidin-3-ylmethyl)triazole-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C9H15N5O.ClH/c10-9(15)8-6-14(13-12-8)5-7-2-1-3-11-4-7;/h6-7,11H,1-5H2,(H2,10,15);1H |
| InChI Key | FYJSPUHJRUEAPF-UHFFFAOYSA-N |
| MDL Number | MFCD27995665 |
| Molecular Formula | C9H16ClN5O |
| Molecular Weight | 245.7092 |
| SMILES | Cl.NC(C1N=NN(CC2CNCCC2)C=1)=O |
| Synonyms | 1-(Piperidin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide hydrochloride,
1713160-63-4,
AKOS026676729,
F8881-4376,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.711g/mol |
| Monoisotopic Mass | 245.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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